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Substance Name: Taurocholic acid
RN: 81-24-3
UNII: 5E090O0G3Z
InChIKey: WBWWGRHZICKQGZ-HZAMXZRMSA-N

Note

  • The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.

Molecular Formula

  • C26-H45-N-O7-S

Molecular Weight

  • 515.708
 

Classification Codes

  • Cholagogues and Choleretics
  • Detergents
  • Gastrointestinal Agents
  • Surface-Active Agents
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Names and Synonyms

Name of Substance

  • Taurocholic acid

MeSH Heading

  • Taurocholic acid

Synonyms

  • 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid
  • 2-((3-alpha,7-alpha,12-alpha-Trihydroxy-24-oxo-5-be ta-cholan-24-yl)amino)ethanesulfonic acid
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine
  • Acidum cholatauricum
  • Cholaic acid
  • Cholic acid taurine conjugate
  • Cholyltaurine
  • EINECS 201-336-2
  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-
  • HSDB 832
  • N-Choloyltaurine
  • NSC 25505
  • Taurine, N-choloyl-
  • Taurocholate
  • Taurocholic acid
  • UNII-5E090O0G3Z

Systematic Names

  • 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulphonic acid
  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-
  • Taurine, N-choloyl- (8CI)

Superlist Name

  • Taurocholic acid

Registry Numbers

CAS Registry Number

  • 81-24-3

FDA UNII

  • 5E090O0G3Z

Other Registry Numbers

  • 113341-22-3
  • 54366-16-4
  • 83830-80-2

Related Registry Number

  • 145-42-6 (mono-hydrochloride salt)

System Generated Number

  • 0000081243

Structure Descriptors

InChI

1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

InChIKey

WBWWGRHZICKQGZ-HZAMXZRMSA-N

Smiles

C1[C@H]2[C@H]3[C@@H]([C@@]4([C@@H](C[C@H](O)CC4)C[C@H]3O)C)C[C@@H]([C@@]2([C@H]([C@@H](CCC(NCCS(O)(=O)=O)=O)C)C1)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 125 dec deg C   EXP
log P (octanol-water) 0.010 (none)   EST
Atmospheric OH Rate Constant 7.58E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.